[2-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylimidazo[1,2-a]pyridin-3-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [2-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylimidazo[1,2-a]pyridin-3-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [2-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-imidazo[1,2-a]pyridinyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C25H35N7O+2 MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=NC=C1)CC2=C(N=C3N2C=CC=C3)C(=O)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

C[NH+](CC1=NC=NC=C1)CC2=C(N=C3N2C=CC=C3)C(=O)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C25H33N7O/c1-29(17-20-10-11-26-19-27-20)18-22-24(28-23-9-5-6-12-32(22)23)25(33)31-15-13-30(14-16-31)21-7-3-2-4-8-21/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3/p+2